Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1235685

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1235685
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Rb', 'Li', 'Se', 'O']
  • Chemical System: Li-O-Rb-Se
  • Density: 3.1897004415786365
  • Atomic Density: 0.04971654290564497
  • Unit Cell Volume: 462.6226735766961
  • Molar Volume: 12.11295156107129
  • Full Formula: Rb4 Li1 Se4 O14
  • Reduced Formula: Rb4Li(Se2O7)2
  • Formula Anonymous: AB4C4D14
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -124.73060085
  • Final energy per atom: -5.423069602173913
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.